Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1828
- Core Entity Id
- 5220
- Source Entity Count
- 1
- Preferred Name
- 2(e),9(z),16-heptadecatriene-4,6-diyne-8-ol
- Name En
- Pubchem Id
- 101745966
- Smiles Canonical
- CC=CC#CC#CC(C=CCCCCCC=C)O
- Molecular Formula
- C17H22O
- Molecular Weight
- 242.3620
- Inchikey
- BVVCAUWTOOENBU-AGTQTVRUSA-N
- Inchi
- InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3/b6-4+,16-14-/t17-/m1/s1
- Isomeric Smiles
- C/C=C/C#CC#C[C@H](/C=C\CCCCCC=C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.6229
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2(E),9(Z),16-Heptadecatriene-4,6-diyne-8-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2(E),9(Z),16-Heptadecatriene-4,6-diyne-8-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2(e),9(z),16-heptadecatriene-4,6-diyne-8-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2(e),9(z),16-heptadecatriene-4,6-diyne-8-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
朝鲜裸菀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAO XIAN LUO WAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
朝鲜裸菀CHAO XIAN LUO WAN
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005577
Npass
NPC120150
Tcmid
9381
Pub Chem
101745966
Tcmbank
TCMBANKIN050310
Etcm Ingredient
2(E),9(Z),16-Heptadecatriene-4,6-diyne-8-ol
Itcmdb Generated
ITX-INGREDIENT-AEB24340FEFB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3/b6-4+,16-14-/t17-/m1/s1
Mol Wt
242.3619999999999
Mol Log P
3.622900000000003
In Ch Ikey
BVVCAUWTOOENBU-AGTQTVRUSA-N
Tcm Name
朝鲜裸菀
Tcm Name2
CHAO XIAN LUO WAN
Mol2 Path
/TCM_database/2007_3d_all/09382.mol2
Reference
4511
Num Hdonors
1
Drug Likeness
0.411
Num Hacceptors
1
Isomeric Smiles
C/C=C/C#CC#C[C@H](/C=C\CCCCCC=C)O
Canonical Smiles
CC=CC#CC#CC(C=CCCCCCC=C)O
Molecular Weight
242.170
Molecular Formula
C17H22O
Molecular Formula
C17H22O
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.411